KEGG   COMPOUND: C12386Help
Entry
C12386                      Compound                               

Name
Premithramycin A3'
Formula
C40H50O18
Exact mass
818.2997
Mol weight
818.8142
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00782  Mithramycin biosynthesis, 4-demethylpremithramycinone => mithramycin
Enzyme
2.1.1.-
Other DBs
PubChem: 582776
ChEBI: 32049
3DMET: B04471
NIKKAJI: J2.783.303I
KCF data Show

ATOM        58
            1   C1y C    19.2659  -25.2895
            2   C1y C    19.2659  -23.9253
            3   O2x O    20.4585  -23.2338
            4   C1y C    21.6321  -23.9253
            5   C1x C    21.6321  -25.2895
            6   C1z C    20.4585  -25.9623
            7   O2a O    22.8208  -23.2411
            8   C1a C    18.0879  -23.2391
            9   O1a O    18.0900  -25.9698
            10  O1a O    21.4091  -26.9359
            11  C1a C    19.4860  -26.9359
            12  C1y C    21.6258  -21.2043
            13  C1y C    21.6258  -19.8401
            14  O2x O    22.8183  -19.1485
            15  C1y C    23.9920  -19.8401
            16  C1x C    23.9920  -21.2043
            17  C1y C    22.8183  -21.8769
            18  O2a O    25.1711  -19.1560
            19  C1a C    20.4478  -19.1537
            20  O1a O    20.4498  -21.8846
            21  C1y C    23.9859  -17.1097
            22  C1y C    23.9859  -15.7454
            23  O2x O    25.1689  -15.0633
            24  C1y C    26.3521  -15.7454
            25  C1x C    26.3521  -17.1097
            26  C1y C    25.1689  -17.7918
            27  O2a O    27.5312  -15.0706
            28  C1a C    22.8079  -15.0686
            29  O1a O    22.8099  -17.7993
            30  O1a O    31.0520   -9.7565
            31  C1x C    26.3910   -9.7565
            32  C8y C    20.5490  -10.4075
            33  C8x C    21.7238   -9.7442
            34  C8y C    22.8890  -10.4170
            35  C8x C    24.0543   -9.7538
            36  C8y C    25.2196  -10.4170
            37  C8x C    20.5544  -11.8211
            38  C1y C    27.4801  -10.4263
            39  C1y C    28.7249   -9.7633
            40  C2y C    29.8806  -10.4263
            41  C8y C    21.7238  -12.4938
            42  C8y C    22.8795  -11.8306
            43  C8y C    24.0448  -12.5032
            44  C8y C    25.2100  -11.8402
            45  C5x C    26.3848  -12.5032
            46  C1z C    27.5405  -11.8495
            47  C5x C    28.7154  -12.5127
            48  C2y C    29.8711  -11.8495
            49  C5a C    31.0459  -12.5223
            50  C1a C    32.2112  -11.8590
            51  O1a O    21.7142  -13.8390
            52  O1a O    24.0448  -13.8485
            53  O5x O    26.3753  -13.8581
            54  O5x O    28.7058  -13.8581
            55  O5a O    31.1063  -13.8674
            56  O1a O    19.3837   -9.7442
            57  O2a O    28.7154   -8.3896
            58  C1a C    29.8881   -7.7040
BOND        64
            1    21  29 1 #Down
            2    26  18 1 #Up
            3    12  13 1
            4    13  14 1
            5    14  15 1
            6    15  16 1
            7    32  33 1
            8    16  17 1
            9    33  34 2
            10   17  12 1
            11   34  35 1
            12    2   3 1
            13   35  36 2
            14   36  31 1
            15   15  18 1 #Up
            16   32  37 2
            17    1   9 1 #Down
            18   31  38 1
            19   13  19 1 #Up
            20   38  39 1
            21    3   4 1
            22   39  40 1
            23   40  30 1
            24   12  20 1 #Up
            25   37  41 1
            26   17   7 1 #Up
            27   41  42 2
            28    6  10 1 #Down
            29   42  43 1
            30    4   5 1
            31   43  44 2
            32    6  11 1 #Up
            33   44  45 1
            34    5   6 1
            35   45  46 1
            36    6   1 1
            37   46  47 1
            38   47  48 1
            39   21  22 1
            40   48  49 1
            41   22  23 1
            42   49  50 1
            43   23  24 1
            44   41  51 1
            45   24  25 1
            46   43  52 1
            47   25  26 1
            48   45  53 2
            49   26  21 1
            50   47  54 2
            51    4   7 1 #Up
            52   49  55 2
            53   24  27 1 #Up
            54   32  56 1
            55   34  42 1
            56   36  44 1
            57   38  46 1
            58   40  48 2
            59    1   2 1
            60   46  27 1 #Down
            61   22  28 1 #Up
            62   39  57 1 #Down
            63    2   8 1 #Up
            64   57  58 1

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